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N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide

C26H35N5O2 — CID 155560721

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C2CCNCC2)cc2c1cnn2C(C)C
InChIInChI=1S/C26H35N5O2/c1-5-6-19-11-17(4)30-26(33)22(19)14-28-25(32)21-12-20(18-7-9-27-10-8-18)13-24-23(21)15-29-31(24)16(2)3/h11-13,15-16,18,27H,5-10,14H2,1-4H3,(H,28,32)(H,30,33)
InChIKeyQKZXBIXAKYLFRD-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.96
Rot. Bonds7

About N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide (PubChem CID 155560721) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide
PubChem CID155560721
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C2CCNCC2)cc2c1cnn2C(C)C
InChIInChI=1S/C26H35N5O2/c1-5-6-19-11-17(4)30-26(33)22(19)14-28-25(32)21-12-20(18-7-9-27-10-8-18)13-24-23(21)15-29-31(24)16(2)3/h11-13,15-16,18,27H,5-10,14H2,1-4H3,(H,28,32)(H,30,33)
InChIKeyQKZXBIXAKYLFRD-UHFFFAOYSA-N
XLogP3.96
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide (CID 155560721) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C2CCNCC2)cc2c1cnn2C(C)C.
What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is QKZXBIXAKYLFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-5-6-19-11-17(4)30-26(33)22(19)14-28-25(32)21-12-20(18-7-9-27-10-8-18)13-24-23(21)15-29-31(24)16(2)3/h11-13,15-16,18,27H,5-10,14H2,1-4H3,(H,28,32)(H,30,33).
What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide?
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 155560721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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